N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide

C25H31N3O4S — CID 93059004

IUPACN-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)c1
InChIInChI=1S/C25H31N3O4S/c1-3-19-8-6-9-21(15-19)26-24(29)17-27-23-12-11-22(16-20(23)10-13-25(27)30)33(31,32)28-14-5-4-7-18(28)2/h6,8-9,11-12,15-16,18H,3-5,7,10,13-14,17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyYSJYZNLZZIOPAW-SFHVURJKSA-N
MW469.61 g/mol
LogP3.73
Rot. Bonds6

About N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide

N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (PubChem CID 93059004) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
PubChem CID93059004
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)c1
InChIInChI=1S/C25H31N3O4S/c1-3-19-8-6-9-21(15-19)26-24(29)17-27-23-12-11-22(16-20(23)10-13-25(27)30)33(31,32)28-14-5-4-7-18(28)2/h6,8-9,11-12,15-16,18H,3-5,7,10,13-14,17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyYSJYZNLZZIOPAW-SFHVURJKSA-N
XLogP3.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794801
2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 94079563
N-(3,4-dimethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794821
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794767
N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 93059040
N-[(4-methoxyphenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794787
N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 93059020
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 93058972
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794794
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 50794846
N-(4-ethylphenyl)-2-(2-oxo-7-pyrrolidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 53122334
1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15997303

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (CID 93059004) is N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is CCc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?
The InChIKey is YSJYZNLZZIOPAW-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-3-19-8-6-9-21(15-19)26-24(29)17-27-23-12-11-22(16-20(23)10-13-25(27)30)33(31,32)28-14-5-4-7-18(28)2/h6,8-9,11-12,15-16,18H,3-5,7,10,13-14,17H2,1-2H3,(H,26,29)/t18-/m0/s1.
What are the key properties of N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide has a molecular weight of 469.61 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is sourced from PubChem (CID 93059004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).